Detailed information for compound 1392813

Basic information

Technical information
  • TDR Targets ID: 1392813
  • Name: 1-[4-(6-bicyclo[2.2.1]heptanyl)piperazin-1-yl ]-2-(phenoxy)ethanone
  • MW: 314.422 | Formula: C19H26N2O2
  • H donors: 0 H acceptors: 1 LogP: 2.97 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCN(CC1)C1CC2CC1CC2)COc1ccccc1
  • InChi: 1S/C19H26N2O2/c22-19(14-23-17-4-2-1-3-5-17)21-10-8-20(9-11-21)18-13-15-6-7-16(18)12-15/h1-5,15-16,18H,6-14H2
  • InChiKey: LPOBNCVBSGLGFD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(4-norbornan-2-ylpiperazin-1-yl)-2-(phenoxy)ethanone
  • 1-[4-(2-norbornanyl)-1-piperazinyl]-2-(phenoxy)ethanone
  • 1-[4-(2-norbornyl)piperazin-1-yl]-2-(phenoxy)ethanone
  • ST5018767
  • Oprea1_662360
  • 1-(4-Bicyclo[2.2.1]hept-2-yl-piperazin-1-yl)-2-phenoxy-ethanone
  • BAS 04057217
  • MLS000121453
  • SMR000118839

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens pyruvate kinase, muscle Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium hominis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium vivax pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma congolense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase-PB Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1 Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium falciparum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Plasmodium berghei pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Neospora caninum Pyruvate kinase (EC 2.7.1.40), related Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium knowlesi pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium yoelii pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi Pyruvate kinase, muscle isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Babesia bovis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Giardia lamblia Pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium parvum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium leprae Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Toxoplasma gondii pyruvate kinase PyK1 Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Entamoeba histolytica pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K00873 pyruvate kinase [EC2.7.1.40], putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Theileria parva pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, M2 isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Pyruvate kinase isozyme R, putative Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium ulcerans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Chlamydia trachomatis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus pyruvate kinase pyruvate kinase, muscle 605 aa 521 aa 34.9 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1661 0.1661
Loa Loa (eye worm) oxidoreductase 0.0308 1 1
Loa Loa (eye worm) pyruvate kinase 0.004 0.1167 0.1063
Trichomonas vaginalis aldo-keto reductase, putative 0.0308 1 1
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0186 0.007
Onchocerca volvulus 0.0259 0.8384 0.8208
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.1167 0.1082
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0308 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0308 1 1
Entamoeba histolytica alcohol dehydrogenase, putative 0.0259 0.8384 0.825
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0308 1 1
Toxoplasma gondii aldo-keto reductase 0.0259 0.8384 0.8295
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0308 1 1
Entamoeba histolytica aldose reductase, putative 0.0308 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0308 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0308 1 1
Echinococcus multilocularis pyruvate kinase 0.004 0.1167 0.106
Trichomonas vaginalis aldo-keto reductase, putative 0.0259 0.8384 0.8368
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0308 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0308 1 1
Giardia lamblia Aldose reductase 0.0308 1 1
Echinococcus granulosus aldehyde reductase 0.0049 0.1452 0.1348
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.012 0.012
Schistosoma mansoni aldo-keto reductase 0.0308 1 1
Echinococcus granulosus pyruvate kinase 0.0021 0.0519 0.0404
Echinococcus multilocularis voltage gated potassium channel subunit 0.0259 0.8384 0.8364
Loa Loa (eye worm) hypothetical protein 0.004 0.1167 0.1063
Trichomonas vaginalis aldo/keto reductase, putative 0.0308 1 1
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0259 0.8384 0.8364
Trypanosoma brucei aldo-keto reductase, putative 0.0308 1 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.019 0.0071
Echinococcus multilocularis aldehyde reductase 0.0049 0.1452 0.1348
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0308 1 1
Giardia lamblia Pyruvate kinase 0.004 0.1167 0.0684
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.2267 0.2267
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0259 0.8384 0.817
Chlamydia trachomatis pyruvate kinase 0.004 0.1167 0.5
Onchocerca volvulus 0.0308 1 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.2007 0.157
Echinococcus granulosus voltage gated potassium channel subunit 0.0259 0.8384 0.8364
Trypanosoma cruzi aldo-keto reductase 0.0308 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0308 1 1
Plasmodium falciparum aldehyde reductase, putative 0.0259 0.8384 1
Entamoeba histolytica aldose reductase, putative 0.0308 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0259 0.8384 0.817
Echinococcus multilocularis aldo keto reductase 0.0308 1 1
Echinococcus multilocularis aldo keto reductase 0.0308 1 1
Echinococcus multilocularis pyruvate kinase 0.0032 0.0887 0.0776
Plasmodium falciparum pyruvate kinase 0.004 0.1167 0.0824
Giardia lamblia Aldose reductase 0.0308 1 1
Plasmodium falciparum aldo-keto reductase, putative 0.0259 0.8384 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0308 1 1
Echinococcus granulosus aldo keto reductase 0.0308 1 1
Mycobacterium leprae Conserved hypothetical protein 0.0049 0.1452 0.0322
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0259 0.8384 0.8365
Toxoplasma gondii pyruvate kinase PyK1 0.004 0.1167 0.0684
Schistosoma mansoni pol-related 0.0308 1 1
Loa Loa (eye worm) pyruvate kinase 0.004 0.1167 0.1063
Echinococcus multilocularis aldo keto reductase 0.0308 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1661 0.1661
Echinococcus granulosus cpg binding protein 0.0037 0.1047 0.0938
Echinococcus granulosus aldo keto reductase 0.0308 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0308 1 1
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.1167 0.0205
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0308 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0308 1 1
Loa Loa (eye worm) oxidoreductase 0.0308 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0308 1 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0764 0.0656
Schistosoma mansoni cpg binding protein 0.0035 0.0982 0.0982
Trichomonas vaginalis aldo-keto reductase, putative 0.0308 1 1
Echinococcus granulosus pyruvate kinase 0.0021 0.0519 0.0404
Toxoplasma gondii aldose reductase, putative 0.0308 1 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0308 1 1
Trypanosoma brucei prostaglandin f synthase 0.0308 1 1
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0012 0.0238 0.0124
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0308 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0308 1 1
Schistosoma mansoni cpg binding protein 0.0037 0.1047 0.1047
Onchocerca volvulus 0.0308 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0308 1 1
Loa Loa (eye worm) histone methyltransferase 0.0011 0.019 0.0075
Trypanosoma brucei aldo/keto reductase, putative 0.0259 0.8384 0.817
Brugia malayi Pyruvate kinase, muscle isozyme 0.004 0.1167 0.1063
Echinococcus granulosus hypothetical protein 0.0308 1 1
Echinococcus multilocularis cpg binding protein 0.0037 0.1047 0.0938
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0308 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0308 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0308 1 1
Plasmodium vivax aldehyde reductase, putative 0.0259 0.8384 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0308 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0308 1 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0982 0.0876
Onchocerca volvulus 0.0308 1 1
Schistosoma mansoni cpg binding protein 0.0037 0.1047 0.1047
Echinococcus multilocularis pyruvate kinase 0.0021 0.0519 0.0404
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0259 0.8384 0.8365
Schistosoma mansoni pyruvate kinase 0.004 0.1167 0.1167
Brugia malayi NADH-dependent xylose reductase 0.0259 0.8384 0.8365
Trichomonas vaginalis aldo-keto reductase, putative 0.0308 1 1
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.1167 0.1082
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0308 1 1
Loa Loa (eye worm) pyruvate kinase 0.004 0.1167 0.1063
Mycobacterium ulcerans hypothetical protein 0.0259 0.8384 0.817
Trichomonas vaginalis aldo-keto reductase, putative 0.0259 0.8384 0.8368
Schistosoma mansoni potassium channel beta 0.0259 0.8384 0.8384
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0308 1 1
Leishmania major prostaglandin f synthase, putative 0.0308 1 1
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0259 0.8384 0.8295
Onchocerca volvulus 0.0308 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1661 0.1661
Trichomonas vaginalis aldo-keto reductase, putative 0.0308 1 1
Echinococcus granulosus pyruvate kinase 0.004 0.1167 0.106
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.1167 0.0205
Loa Loa (eye worm) hypothetical protein 0.0308 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1661 0.156
Mycobacterium leprae Possible oxidoreductase 0.0259 0.8384 0.817
Trichomonas vaginalis aldo-keto reductase, putative 0.0308 1 1
Mycobacterium tuberculosis Conserved protein 0.0259 0.8384 0.817
Schistosoma mansoni pyruvate kinase 0.004 0.1167 0.1167
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0308 1 1
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.1167 0.0205
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0259 0.8384 0.8368
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0308 1 1
Schistosoma mansoni pyruvate kinase 0.0021 0.0519 0.0519
Echinococcus multilocularis pyruvate kinase 0.004 0.1167 0.106
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0308 1 1
Loa Loa (eye worm) oxidoreductase 0.0308 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0259 0.8384 0.8368
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0308 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1661 0.156
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1661 0.1563
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0308 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0308 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0259 0.8384 0.8368
Loa Loa (eye worm) oxidoreductase 0.0308 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1661 0.156
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0308 1 1
Entamoeba histolytica aldose reductase, putative 0.0308 1 1
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0259 0.8384 0.8295
Echinococcus multilocularis pyruvate kinase 0.0021 0.0519 0.0404
Onchocerca volvulus 0.0308 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0308 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0308 1 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.019 0.0071
Echinococcus granulosus pyruvate kinase 0.004 0.1167 0.106
Loa Loa (eye worm) pyruvate kinase-PB 0.0028 0.0764 0.0656
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0308 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1661 0.156
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0308 1 1
Entamoeba histolytica alcohol dehydrogenase, putative 0.0259 0.8384 0.825
Echinococcus granulosus pyruvate kinase 0.0021 0.0519 0.0404
Schistosoma mansoni aldo-keto reductase 0.0308 1 1
Echinococcus multilocularis aldo keto reductase 0.0308 1 1
Leishmania major aldo-keto reductase-like protein 0.0308 1 1
Plasmodium vivax pyruvate kinase, putative 0.004 0.1167 0.0824
Brugia malayi CXXC zinc finger family protein 0.0035 0.0982 0.0876
Loa Loa (eye worm) oxidoreductase 0.0308 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0308 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0308 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0308 1 1
Mycobacterium ulcerans oxidoreductase 0.0308 1 1
Echinococcus multilocularis pyruvate kinase 0.0021 0.0519 0.0404
Brugia malayi Pyruvate kinase, M2 isozyme 0.004 0.1167 0.1063
Echinococcus granulosus aldo keto reductase 0.0308 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1661 0.1563
Onchocerca volvulus 0.0308 1 1
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0259 0.8384 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.2387 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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